SCHEMBL5887134

SCHEMBL5887134

COC1=C(c2ccc(OC)cc2)[CH]CC=C1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
BACE1 P56817 2/20 0.37
GSK3B P49841 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5887283 0.92 BACE1 (0.42) NPC1RAB9ASMN1; SMN2BACE1TP53
SCHEMBL4808770 0.88 PTGS2 (0.35) GLAMEN1MAPTKMT2ATDP1
SCHEMBL5887229 0.87 ACHE (0.46) ALOX5NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5887317 0.85 ALOX5 (0.39) ALOX5GLANPC1RAB9ASMN1; SMN2
SCHEMBL5887524 0.85 RAD51 (0.37) SMN1; SMN2HPGDTP53MAPTPIK3CA
SCHEMBL5887387 0.84 LTA4H (0.51) NPC1RAB9ASMN1; SMN2BACE1KDM4E
SCHEMBL5887592 0.82 ABL1 (0.39) ALOX5NPC1RAB9ASMN1; SMN2BACE1
SCHEMBL5887251 0.81 BACE1 (0.41) ALOX5NPC1RAB9ASMN1; SMN2BACE1
SCHEMBL4007569 0.80 ACHE (0.33) ALOX5NPC1RAB9AKMT2A
SCHEMBL5887556 0.78 ALOX5 (0.40) ALOX5GLANPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R ALOX5 2648/4885GLA 4695/4885NPC1 1831/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ALOX5 3355/4885GLA 4661/4885NPC1 2930/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.